N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide

C110H125F9N14O20S6 — CID 160604379

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C23H31N3O4S.C22H28FN3O4S.C17H17F3N2O3S.C16H15F3N2O3S.2C16H17FN2O3S/c1-15(2)31(28,29)25-20-8-6-19(7-9-20)23(27)24-21-10-11-22(16(3)12-21)26-13-17(4)30-18(5)14-26;1-14(2)31(28,29)25-18-7-5-17(6-8-18)22(27)24-19-9-10-21(20(23)11-19)26-12-15(3)30-16(4)13-26;1-11(2)26(24,25)22-13-9-7-12(8-10-13)16(23)21-15-6-4-3-5-14(15)17(18,19)20;1-9(2)25(23,24)21-12-5-3-10(4-6-12)16(22)20-15-13(18)7-11(17)8-14(15)19;1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15;1-11(2)23(21,22)19-13-9-7-12(8-10-13)16(20)18-15-6-4-3-5-14(15)17/h6-12,15,17-18,25H,13-14H2,1-5H3,(H,24,27);5-11,14-16,25H,12-13H2,1-4H3,(H,24,27);3-11,22H,1-2H3,(H,21,23);3-9,21H,1-2H3,(H,20,22);2*3-11,19H,1-2H3,(H,18,20)/t17-,18+;15-,16+;;;;
InChIKeyRERMPZVFKZUSSM-KMZAXFGISA-N
MW2326.67 g/mol
LogP21.92
Rot. Bonds32

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide (PubChem CID 160604379) has the molecular formula C110H125F9N14O20S6 and a molecular weight of 2326.67 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
PubChem CID160604379
Molecular FormulaC110H125F9N14O20S6
Molecular Weight2326.67 g/mol
Exact Mass2324.74
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C23H31N3O4S.C22H28FN3O4S.C17H17F3N2O3S.C16H15F3N2O3S.2C16H17FN2O3S/c1-15(2)31(28,29)25-20-8-6-19(7-9-20)23(27)24-21-10-11-22(16(3)12-21)26-13-17(4)30-18(5)14-26;1-14(2)31(28,29)25-18-7-5-17(6-8-18)22(27)24-19-9-10-21(20(23)11-19)26-12-15(3)30-16(4)13-26;1-11(2)26(24,25)22-13-9-7-12(8-10-13)16(23)21-15-6-4-3-5-14(15)17(18,19)20;1-9(2)25(23,24)21-12-5-3-10(4-6-12)16(22)20-15-13(18)7-11(17)8-14(15)19;1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15;1-11(2)23(21,22)19-13-9-7-12(8-10-13)16(20)18-15-6-4-3-5-14(15)17/h6-12,15,17-18,25H,13-14H2,1-5H3,(H,24,27);5-11,14-16,25H,12-13H2,1-4H3,(H,24,27);3-11,22H,1-2H3,(H,21,23);3-9,21H,1-2H3,(H,20,22);2*3-11,19H,1-2H3,(H,18,20)/t17-,18+;15-,16+;;;;
InChIKeyRERMPZVFKZUSSM-KMZAXFGISA-N
XLogP21.92
TPSA476.56 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002326.67
LogP ≤ 521.92
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide (CID 160604379) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide is CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide?
The InChIKey is RERMPZVFKZUSSM-KMZAXFGISA-N. The full InChI is InChI=1S/C23H31N3O4S.C22H28FN3O4S.C17H17F3N2O3S.C16H15F3N2O3S.2C16H17FN2O3S/c1-15(2)31(28,29)25-20-8-6-19(7-9-20)23(27)24-21-10-11-22(16(3)12-21)26-13-17(4)30-18(5)14-26;1-14(2)31(28,29)25-18-7-5-17(6-8-18)22(27)24-19-9-10-21(20(23)11-19)26-12-15(3)30-16(4)13-26;1-11(2)26(24,25)22-13-9-7-12(8-10-13)16(23)21-15-6-4-3-5-14(15)17(18,19)20;1-9(2)25(23,24)21-12-5-3-10(4-6-12)16(22)20-15-13(18)7-11(17)8-14(15)19;1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15;1-11(2)23(21,22)19-13-9-7-12(8-10-13)16(20)18-15-6-4-3-5-14(15)17/h6-12,15,17-18,25H,13-14H2,1-5H3,(H,24,27);5-11,14-16,25H,12-13H2,1-4H3,(H,24,27);3-11,22H,1-2H3,(H,21,23);3-9,21H,1-2H3,(H,20,22);2*3-11,19H,1-2H3,(H,18,20)/t17-,18+;15-,16+;;;;.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide has a molecular weight of 2326.67 g/mol, XLogP of 21.92, 32 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide is sourced from PubChem (CID 160604379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).